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DOE OSTI2013

Analysis of Potential Leakage Pathways and Mineralization within Caprocks for Geologic Storage of CO 2

We used a multifaceted approach to investigate the nature of caprocks above, and the interface between, reservoir-quality rocks that might serve as targets for carbon storage. Fieldwork in southeastern Utah examined the regional- to m-scale nature of faults and fractures across the sedimentiological interfaces. We also used microscopic analyses and mechanical modeling to examine the question as to how the contacts between units interact, and how fractures may allow fluids to move from reservoirs to caprock. Regional-scale analyses using ASTER data enabled us to identify location of alteration, which led to site-specific studies of deformation and fluid flow. In the Jurassic Carmel Formation, a seal for the Navajo Sandstone, we evaluated mesoscale variability in fracture density and morphology and variability in elastic moduli in the Jurassic Carmel Formation, a proposed seal to the underlying Navajo Sandstone for CO 2 geosequestration. By combining mechano-stratigraphic outcrop observations with elastic moduli derived from wireline log data, we characterize the variability in fracture pattern and morphology with the observed variability in rock strength within this heterolithic top seal. Outcrop inventories of discontinuities show fracture densities decrease as bed thickness increases and fracture propagation morphology across lithologic interfaces vary with changing interface type. Dynamic elastic moduli, calculated from wireline log data, show that Young’s modulus varies by up to 40 GPa across depositional interfaces, and by an average of 3 GPa across the reservoir/seal interface. We expect that the mesoscale changes in rock strength will affect the distributions of localized stress and thereby influence fracture propagation and fluid flow behavior within the seal. These data provide a means to closely tie outcrop observations to those derived from subsurface data and estimates of subsurface rock strength. We also studied damage zones associated normal faults in the Permian Cedar Mesa Sandstone, southeastern Utah. These faults are characterized by a single slip surfaces and damage zones containing deformation bands, veins, and joints. Field observations include crosscutting relationships, permeability increase, rock strength decrease, and ultraviolet light induced mineral fluorescence within the damage zone. These field observations combined with the interpreted paragenetic sequence from petrographic analysis, suggests a deformation history of reactivation and several mineralization events in an otherwise low-permeability fault. All deformation bands and veins fluoresce under ultraviolet light, suggesting connectivity and a shared mineralization history. Pre-existing deformation features act as loci for younger deformation and mineralization events, this fault and its damage zone illustrate the importance of the fault damage zone to subsurface fluid flow. We model a simplified stress history in order to understand the importance of rock properties and magnitude of tectonic stress on the deformation features within the damage zone. The moderate confining pressures, possible variations in pore pressure, and the porous, fine-grained nature of the Cedar Mesa Sandstone results in a fault damage zone characterized by enhanced permeability, subsurface fluid flow, and mineralization. Structural setting greatly influences fracture spacing and orientation. Three structural settings were examined and include fault proximity, a fold limb of constant dip, and a setting proximal to the syncline hinge. Fracture spacing and dominant fracture orientation vary at each setting and distinctions between regional and local paleo-stress directions can be made. Joints on the fold limb strike normal to the fold axis/bedding and are interpreted to be sub-parallel to the maximum regional paleo-stress direction as there is no fold related strain. Joints proximal to faults and the syncline hinge may have formed under local stress conditions associated with folding and faulting, and in some cases, are perpendicular to the maximum regional paleo-stress direction. Macroscale analyses of the Iron Wash fault, which cuts most of the stratigraphy of the reservoir- seal analogs, reveals that seal bypass occurs along faults with mixed lithologic composition. While portions of the fault may be effective seals, when modeled as a whole the fault zone cannot support a high CO 2 column. We adapted oil-field methods to calculate column heights and sealing capacities. Examination of the burial and tectonic histories of the rocks, coupled with field- and micro-scale studies, allow us to examine the potential for seal failure using basic rock mechanics failure analyses. These studies reveal that the sealing lithologies experienced multiple episodes of deformation that resulted in numerous fractures and small faults. In a stress state based on burial history and overburden loads, we show that most of the seals could fail with normal to slightly excess pore pressures.

58 GEOSCIENCES↗

DOE OSTI2020

Goldsim Modeling of Vadose Zone Transport for E-Area Naval Reactor Component Disposal Areas: Model Description and Benchmarking

This report documents the development of a GoldSim® model of flow and radionuclide transport to the water table through the Naval Reactor Components Disposal Area (NRCDA) waste disposal sites and underlying vadose zones. The model is designed to be used for Monte Carlo uncertainty analysis in support of the E-Area Performance Assessment (PA). This report describes the model and shows results obtained from benchmarking the model to best-estimate deterministic results obtained using a PORFLOW model of NRCDA vadose zone transport. The PORFLOW model is three-dimensional while the GoldSim model is a simplified one-dimensional treatment. Nevertheless, the GoldSim model was able to accurately reproduce PORFLOW results with some adjustment to the nominal dispersion coefficient and vadose zone flow area used as “tuning” parameters. An example of the results obtained comparing GoldSim and PORFLOW calculation of releases of I-129, Tc-99, C-14 and Ni-59 from waste disposal containers at the 643-26E site is shown in Figure 1 below. For all of the test cases evaluated, GoldSim predicted peak concentrations within 6% of the PORFLOW values and peak times agreed within 8% with the majority of the results in better agreement. The close agreement between the two models provides confidence that GoldSim will give results accurately reflecting the behavior of releases from the NRCDA under off-normal operating conditions for sensitivity and uncertainty analysis

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Principles of passive and active cooling of mirror-based hybrid systems employing liquid metals

This paper presents principles of passive and active cooling that are suitable to mirrorbased hybrid, nuclear fission/fusion systems. It is shown that liquid metal lead-bismuth cooling of the mirror machine with 25 m height and 1.5 GW thermal power is feasible both in the active mode during the normal operation and in the passive mode after the reactor shutdown. In the active mode the achievable required pumping power can well be below 50 MW, whereas the passive mode provides enough coolant flow to keep the clad temperature below the damage limits.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Preliminary Primary System Thermal Fluids Analysis of a Horizontal Compact HTGR

The Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers, under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is collaborating on the thermal hydraulic design and analysis of the HC-HTGR reactor pressure vessel internals. The scope of this work includes ensuring the reactor is able to maintain maximum core temperatures below designated safety thresholds during normal operation, shutdown, and accident conditions. This report documents the preliminary thermal hydraulic analysis of the HC-HTGR core design performed with a 1D fluid-3D solid coupled model built using the System Analysis Module (SAM). This assembly level model was utilized to inform the core assembly design, predict the temperature distribution in the peak power assembly including the peak fuel temperature, coolant channel outlet temperatures, and graphite temperature gradients. A key result of this analysis was the determination that the peak fuel temperature remains below the safety threshold of 1250°C. Additionally, this model was used to assess the assembly coolant channel and bypass flow mass flow rate distribution. Following the assembly level analysis, attention turned to the development of a full core reduced order model to be used to predict the core wide coolant flow distribution and to model certain operational and accidental transients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

Gas Generation Testing of Crystalline Silicotitanate Ion Exchange Media

The Direct Feed Low-Activity Waste (DFLAW) process has been proposed to support early production of immobilized low-activity waste (LAW) at the Hanford site. As planned, Hanford tank waste would be sent to the Tank Side Cesium Removal (TSCR) system for solids removal (by filtration) and cesium removal (by ion exchange) during the initial phase of the DFLAW process. The resultant treated waste would be delivered to the LAW Vitrification Facility at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) for immobilization. The ongoing technology maturation of TSCR system components is being conducted by Washington River Protection Solutions, LLC (WRPS). The ion exchange process in the TSCR system will use columns of crystalline silicotitanate (CST) to remove cesium from the LAW. This report describes gas generation testing of the crystalline silicotitanate ion exchange media that was conducted to strengthen the technical basis of the media for use in the TSCR system. Specifically, the described study will inform the safety basis of both the operation of the TSCR system and the interim storage condition of the TSCR ion exchange columns after loading. Previous data on gas generation of CST are limited to a handful of studies using CST or similar media under unrepresentative conditions and durations. The safety basis underlying operation and storage of the CST columns needs to consider the rate and extent of radiolytic flammable gas generation. No existing studies provide a comprehensive set of gas generation data for column operating and storage conditions representative of those expected for TSCR. To address the data gap, this study was conducted under the following conditions (each in duplicate): (1) CST in water at 25°C tested to 300 Mrad total dose, (2) wet CST (soaked in water, then free-drained) at 25°C tested to both 300 Mrad and 900 Mrad total dose, (3) dry CST (air-dried, free-flowing material equilibrated to laboratory conditions) at 25°C tested to both 300 Mrad and 900 Mrad total dose, (4) CST in 5.6M Na simulant at 25°C tested to 300 Mrad total dose, and (5) CST in 5.6M Na simulant with 1%(w/w) total organic carbon as Na3-HEDTA at 25°C and 70°C tested to 300 Mrad total dose. For each of the listed conditions, the generation of the following gas species was measured: hydrogen, oxygen, nitrous oxide, and methane. The test data was used to determine the amount of gas generated (total and on a per component basis), gas generation rates normalized to the CST bed volume tested, and G-values for each gas species. The reported results illustrate that the CST in water condition bounds the gas generation rate (at 25°C) of all other conditions, but there is some variability in the hydrogen G-value, depending on the lot of CST tested and the amount of residual moisture present at the start of the test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Gas Generation Testing of Crystalline Silicotitanate Ion Exchange Media

The Direct Feed Low-Activity Waste (DFLAW) process has been proposed to support early production of immobilized low-activity waste (LAW) at the Hanford site. As planned, Hanford tank waste would be sent to the Tank Side Cesium Removal (TSCR) system for solids removal (by filtration) and cesium removal (by ion exchange) during the initial phase of the DFLAW process. The resultant treated waste would be delivered to the LAW Vitrification Facility at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) for immobilization. The ongoing technology maturation of TSCR system components is being conducted by Washington River Protection Solutions, LLC (WRPS). The ion exchange process in the TSCR system will use columns of crystalline silicotitanate (CST) to remove cesium from the LAW. This report describes gas generation testing of the crystalline silicotitanate ion exchange media that was conducted to strengthen the technical basis of the media for use in the TSCR system. Specifically, the described study will inform the safety basis of both the operation of the TSCR system and the interim storage condition of the TSCR ion exchange columns after loading. Previous data on gas generation of CST are limited to a handful of studies using CST or similar media under unrepresentative conditions and durations. The safety basis underlying operation and storage of the CST columns needs to consider the rate and extent of radiolytic flammable gas generation. No existing studies provide a comprehensive set of gas generation data for column operating and storage conditions representative of those expected for TSCR. To address the data gap, this study was conducted under the following conditions (each in duplicate): (1) CST in water at 25°C tested to 300 Mrad total dose, (2) wet CST (soaked in water, then free-drained) at 25°C tested to both 300 Mrad and 900 Mrad total dose, (3) dry CST (air-dried, free-flowing material equilibrated to laboratory conditions) at 25°C tested to both 300 Mrad and 900 Mrad total dose, (4) CST in 5.6M Na simulant at 25°C tested to 300 Mrad total dose, and (5) CST in 5.6M Na simulant with 1% (w/w) total organic carbon as Na 3 -HEDTA at 25°C and 70°C tested to 300 Mrad total dose. For each of the listed conditions, the generation of the following gas species was measured: hydrogen, oxygen, nitrous oxide, and methane. The test data was used to determine the amount of gas generated (total and on a per-component basis), gas generation rates normalized to the CST bed volume tested, and G-values for each gas species. The reported results illustrate that the CST-in-water condition bounds the gas generation rate (at 25°C) of all other conditions, but there is some variability in the hydrogen G-value, depending on the lot of CST tested and the amount of residual moisture present at the start of the test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

TU-H-CAMPUS-IeP3-02: Neurovascular 4D Parametric Imaging Using Co-Registration of Biplane DSA Sequences with 3D Vascular Geometry Obtained From Cone Beam CT

Purpose: To create 4D parametric images using biplane Digital Subtraction Angiography (DSA) sequences co-registered with the 3D vascular geometry obtained from Cone Beam-CT (CBCT). Methods: We investigated a method to derive multiple 4D Parametric Imaging (PI) maps using only one CBCT acquisition. During this procedure a 3D-DSA geometry is stored and used subsequently for all 4D images. Each time a biplane DSA is acquired, we calculate 2D parametric maps of Bolus Arrival Time (BAT), Mean Transit Time (MTT) and Time to Peak (TTP). Arterial segments which are nearly parallel with one of the biplane imaging planes in the 2D parametric maps are co-registered with the 3D geometry. The values in the remaining vascular network are found using spline interpolation since the points chosen for co-registration on the vasculature are discrete and remaining regions need to be interpolated. To evaluate the method we used a patient CT volume data set for 3D printing a neurovascular phantom containing a complete Circle of Willis. We connected the phantom to a flow loop with a peristaltic pump, simulating physiological flow conditions. Contrast media was injected with an automatic injector at 10 ml/sec. Images were acquired with a Toshiba Infinix C-arm and 4D parametric image maps of the vasculature were calculated. Results: 4D BAT, MTT, and TTP parametric image maps of the Circle of Willis were derived. We generated color-coded 3D geometries which avoided artifacts due to vessel overlap or foreshortening in the projection direction. Conclusion: The software was tested successfully and multiple 4D parametric images were obtained from biplane DSA sequences without the need to acquire additional 3D-DSA runs. This can benefit the patient by reducing the contrast media and the radiation dose normally associated with these procedures. Partial support from NIH Grant R01-EB002873 and Toshiba Medical Systems Corp.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2011

Making the Traffic Operations Case for Congestion Pricing: Operational Impacts of Congestion Pricing

Congestion begins when an excess of vehicles on a segment of roadway at a given time, resulting in speeds that are significantly slower than normal or 'free flow' speeds. Congestion often means stop-and-go traffic. The transition occurs when vehicle density (the number of vehicles per mile in a lane) exceeds a critical level. Once traffic enters a state of congestion, recovery or time to return to a free-flow state is lengthy; and during the recovery process, delay continues to accumulate. The breakdown in speed and flow greatly impedes the efficient operation of the freeway system, resulting in economic, mobility, environmental and safety problems. Freeways are designed to function as access-controlled highways characterized by uninterrupted traffic flow so references to freeway performance relate primarily to the quality of traffic flow or traffic conditions as experienced by users of the freeway. The maximum flow or capacity of a freeway segment is reached while traffic is moving freely. As a result, freeways are most productive when they carry capacity flows at 60 mph, whereas lower speeds impose freeway delay, resulting in bottlenecks. Bottlenecks may be caused by physical disruptions, such as a reduced number of lanes, a change in grade, or an on-ramp with a short merge lane. This type of bottleneck occurs on a predictable or 'recurrent' basis at the same time of day and same day of week. Recurrent congestion totals 45% of congestion and is primarily from bottlenecks (40%) as well as inadequate signal timing (5%). Nonrecurring bottlenecks result from crashes, work zone disruptions, adverse weather conditions, and special events that create surges in demand and that account for over 55% of experienced congestion. Figure 1.1 shows that nonrecurring congestion is composed of traffic incidents (25%), severe weather (15%), work zones, (10%), and special events (5%). Between 1995 and 2005, the average percentage change in increased peak traveler delay, based on hours spent in traffic in a year, grew by 22% as the national average of hours spent in delay grew from 36 hours to 44 hours. Peak delay per traveler grew one-third in medium-size urban areas over the 10 year period. The traffic engineering community has developed an arsenal of integrated tools to mitigate the impacts of congestion on freeway throughput and performance, including pricing of capacity to manage demand for travel. Congestion pricing is a strategy which dynamically matches demand with available capacity. A congestion price is a user fee equal to the added cost imposed on other travelers as a result of the last traveler's entry into the highway network. The concept is based on the idea that motorists should pay for the additional congestion they create when entering a congested road. The concept calls for fees to vary according to the level of congestion with the price mechanism applied to make travelers more fully aware of the congestion externality they impose on other travelers and the system itself. The operational rationales for the institution of pricing strategies are to improve the efficiency of operations in a corridor and/or to better manage congestion. To this end, the objectives of this project were to: (1) Better understand and quantify the impacts of congestion pricing strategies on traffic operations through the study of actual projects, and (2) Better understand and quantify the impacts of congestion pricing strategies on traffic operations through the use of modeling and other analytical methods. Specifically, the project was to identify credible analytical procedures that FHWA can use to quantify the impacts of various congestion pricing strategies on traffic flow (throughput) and congestion.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2012

Preliminary analysis of loss-of-coolant accident in Fukushima nuclear accident

Loss-of-Coolant Accident (LOCA) in Boiling Water Reactor (BWR) especially on Fukushima Nuclear Accident will be discussed in this paper. The Tohoku earthquake triggered the shutdown of nuclear power reactors at Fukushima Nuclear Power station. Though shutdown process has been completely performed, cooling process, at much smaller level than in normal operation, is needed to remove decay heat from the reactor core until the reactor reach cold-shutdown condition. If LOCA happen at this condition, it will cause the increase of reactor fuel and other core temperatures and can lead to reactor core meltdown and exposure of radioactive material to the environment such as in the Fukushima Dai Ichi nuclear accident case. In this study numerical simulation has been performed to calculate pressure composition, water level and temperature distribution on reactor during this accident. There are two coolant regulating system that operational on reactor unit 1 at this accident, Isolation Condensers (IC) system and Safety Relief Valves (SRV) system. Average mass flow of steam to the IC system in this event is 10 kg/s and could keep reactor core from uncovered about 3,2 hours and fully uncovered in 4,7 hours later. There are two coolant regulating system at operational on reactor unit 2, Reactor Core Isolation Condenser (RCIC) System and Safety Relief Valves (SRV). Average mass flow of coolant that correspond this event is 20 kg/s and could keep reactor core from uncovered about 73 hours and fully uncovered in 75 hours later. There are three coolant regulating system at operational on reactor unit 3, Reactor Core Isolation Condenser (RCIC) system, High Pressure Coolant Injection (HPCI) system and Safety Relief Valves (SRV). Average mass flow of water that correspond this event is 15 kg/s and could keep reactor core from uncovered about 37 hours and fully uncovered in 40 hours later.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

3D CFD Model Validation Using Benchmark Data of 1/16th Scaled VHTR Upper Plenum and Development of Wall Heat-Transfer Correlation For Laminar Flow

With support from the U.S. Department of Energy-Office of Nuclear Energy’s (DOE-NE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, an effort has been pursued to support high-temperature gas-cooled reactor (HTGR) technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior in the nuclear reactor primary system, especially in the core and the lower and upper plena, during safety-related transients. In this report, two main such activities are presented relevant to the HTGRs: (1) three-dimensional (3D) computational fluid dynamics (CFD) validation using benchmark data from the upper plenum of Texas A&M University’s 1/16th scaled very-high-temperature gas-cooled reactor (VHTR), and (2) development of wall heat-transfer correlation for laminar flow in a wall-heated pipe. The CFD tool validation exercises can be helpful to choose the models and CFD tools to simulate and design specific components of the HTRGs such as upper plenum where jet mixing is a complex phenomenon. In a loss of forced circulation event, the laminar flow can be observed during the development of natural circulation flow. This work includes the development and validation of heat transfer correlations for laminar flow using the Nek5000 CFD code due to limited available experimental data for laminar flow conditions to guide low-order models (1D). In this report, the flow characteristics of a single isothermal jet discharging into the upper plenum was investigated using the Nek5000 Large-Eddy Simulation (LES) CFD tool. Several numerical simulations were performed for various jet-discharged Reynolds numbers ranging from 3,413 to 12,819. A grid-independent study was performed. The numerical results of mean velocity, root-mean-square fluctuating velocity, and Reynolds stress were compared against the benchmark data. Good agreement was obtained between simulated and measured data for axial mean velocities, except near the upper plenum hemisphere. The maximum predicted errors for axial mean velocities at various normalized coolant channel diameter heights of 1, 5, and 10 are 1.56%, 1.88%, and 3.82%, respectively. In addition, the predicted root-mean-square fluctuating velocity and Reynolds stress are qualitatively in agreement with the experimental data. The Nek5000 code was used to develop wall-heat transfer correlation for laminar flow in a cylindrical tube. Several simulations were performed for various Reynolds flow and wall-heat fluxes. A new heat transfer correlation was developed using data from Nek5000 simulation results and regression functions in Matlab. The developed heat transfer correlation is valid for various Reynolds flows from 200 to 2000. The predicted R² value for model fit was 0.875, which ensures that 87.5% of the model data lies on the Nek5000 data. Moreover, a machine learning (ML) tool was used to train and test the Nek5000 data. A good fit of the ML-based model was observed with the test data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Multi-Functional Zirconium-Silicide Coatings on Zirconium-alloy for Improved Accident Tolerance

Recently, development of protective coatings on zirconium-alloy (Zr-alloy) fuel cladding in light water reactors has been extensively investigated to enhance safety margins in accident scenarios. One accident scenario is degradation of the reactor core under a coolant-limited condition, where a large amount of Zr-alloy claddings would react with high temperature steam, leading to oxidation, hydrogen production, and loss of intrinsic mechanical properties of the fuel cladding. Although, total replacement of Zr-alloy with SiC-SiCf composites or FeCrAl is being considered for the long-term, application of oxidation resistant coatings on zirconium-alloy is being investigated as a near-term solution to mitigate oxidation of Zr-alloy and increase the accident coping time. Coatings, such as chromium, Ti{sub 2}AlC, SiC, and Cr{sub 3}C{sub 2}- NiCr, deposited by various deposition techniques have been investigated. In addition, recent studies on modified heating surface for heat transfer enhancement provides basis on the optimal design of coated Zr-alloy claddings so that the new cladding can be achieve accident tolerance and heat transfer efficiency for both accident and normal operation conditions. Therefore, boiling heat transfer from the coated surface to water environment must be evaluated in parallel. In heat transfer performance, boiling heat transfer is characterized by nucleate boiling, critical heat flux (CHF), transition boiling, minimum film boiling temperature (T{sub min}), and film boiling. Zirconium-silicide (ZrSi{sub 2}) is a potentially attractive protective coating material for cladding applications. Although this material has not been studied extensively, it appears to be a promising candidate because of the high melting points, and the low neutron penalty, and the generally good oxidation resistance to transition metal silicides. It has been reported that oxidation of ZrSi{sub 2} powder in a flowing air environment at elevated temperatures produced ZrO{sub 2}, SiO{sub 2}, and ZrSiO{sub 4}, pointing to the possibility of achieving highly protective surface layers of SiO{sub 2} and ZrSiO{sub 4} that would protect the material from further oxidation. In this study, magnetron sputter deposition of ZrSi{sub 2} on zirconium-alloy flats and cylindrical rods was performed. The coated samples were oxidized in high temperature air (700 deg. C, 1000 deg. C and 1200 deg. C) to evaluate their oxidation resistance. The coated cylindrical rods were quenched in saturated water to observe transition boiling, T{sub min}, film boiling regime, while the coated flats were tested in pool boiling facility to investigate nucleation boiling and CHF.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2011

Novel Membranes and Processes for Oxygen Enrichment

The overall goal of this project is to develop a membrane process that produces air containing 25-35% oxygen, at a cost of $25-40/ton of equivalent pure oxygen (EPO2). Oxygen-enriched air at such a low cost will allow existing air-fueled furnaces to be converted economically to oxygen-enriched furnaces, which in turn will improve the economic and energy efficiency of combustion processes significantly, and reduce the cost of CO{sub 2} capture and sequestration from flue gases throughout the U.S. manufacturing industries. During the 12-month Concept Definition project: We identified a series of perfluoropolymers (PFPs) with promising oxygen/nitrogen separation properties, which were successfully made into thin film composite membranes. The membranes showed oxygen permeance as high as 1,200 gpu and oxygen/nitrogen selectivity of 3.0, and the permeance and selectivity were stable over the time period tested (60 days). We successfully scaled up the production of high-flux PFP-based membranes, using MTR's commercial coaters. Two bench-scale spiral-wound modules with countercurrent designs were made and parametric tests were performed to understand the effect of feed flow rate and pressure, permeate pressure and sweep flow rate on the membrane module separation properties. At various operating conditions that modeled potential industrial operating conditions, the module separation properties were similar to the pure-gas separation properties in the membrane stamps. We also identified and synthesized new polymers [including polymers of intrinsic microporosity (PIMs) and polyimides] with higher oxygen/nitrogen selectivity (3.5-5.0) than the PFPs, and made these polymers into thin film composite membranes. However, these membranes were susceptible to severe aging; pure-gas permeance decreased nearly six-fold within two weeks, making them impractical for industrial applications of oxygen enrichment. We tested the effect of oxygen-enriched air on NO{sub x} emissions using a Bloom baffle burner at GTI. The results are positive and confirm that oxygen-enriched combustion can be carried out without producing higher levels of NOx than normal air firing, if lancing of combustion air is used and the excess air levels are controlled. A simple economic study shows that the membrane processes can produce O{sub 2} at less than $40/ton EPO{sub 2} and an energy cost of 1.1-1.5 MMBtu/ton EPO{sub 2}, which are very favorable compared with conventional technologies such as cryogenics and vacuum pressure swing adsorption processes. The benefits of integrated membrane processes/combustion process trains have been evaluated, and show good savings in process costs and energy consumption, as well as reduced CO{sub 2} emissions. For example, if air containing 30% oxygen is used in natural gas furnaces, the net natural gas savings are an estimated 18% at a burner temperature of 2,500 F, and 32% at a burner temperature of 3,000 F. With a 20% market penetration of membrane-based oxygen-enriched combustion in all combustion processes by 2020, the energy savings would be 414-736 TBtu/y in the U.S. The comparable net cost savings are estimated at $1.2-2.1 billion per year by 2020, calculated as the value of fuel savings subtracted from the cost of oxygen production. The fuel savings of 18%-32% by the membrane/oxygen-enriched combustion corresponds to an 18%-32% reduction in CO{sub 2} emissions, or 23-40 MM ton/y less CO{sub 2} from natural gas-fired furnaces by 2020. In summary, results from this project (Concept Definition phase) are highly promising and clearly demonstrate that membrane processes can produce oxygen-enriched air in a low cost manner that will lower operating costs and energy consumption in industrial combustion processes. Future work will focus on proof-of-concept bench-scale demonstration in the laboratory.

03 NATURAL GAS↗

DOE OSTI2022

Numerical Modeling of Atmospheric Rime Ice Accretion on an Airfoil Using an Eulerian Approach

This paper presents an approach to numerically simulate the inherently unsteady rime ice accretion problem on a two-dimensional airfoil and elucidate the associated variations under different icing conditions. The airflow field and the water impingement on the airfoil are obtained based on an Eulerian two-phase model. A dynamic mesh strategy is employed to unsteadily account for the changes in the ice profile and its impact on the air and droplet flow by continuously reconstructing the computational grid at each time-step through smoothing and layering mechanisms. All main icing modules including the airflow field, droplet trajectory, icing thickness profile, and mesh management are fully coupled within the same computational framework without resorting to any external tools. Classical icing theory is employed to model the rime ice roughness, and it is assumed that the ice accretes in a direction normal to the airfoil surface. The governing Reynolds-averaged Navier–Stokes (RANS) conservation equations along with the energy and continuity equations are solved to produce the velocity and temperature fields. A convective film heat transfer coefficient is computed based on the surface heat flux and a recovery temperature which takes into account the dissipative heat release in the boundary layer in the vicinity of the airfoil surface. With the implemented strategy and calculating the convective heat transfer coefficient, the water film thickness is also calculated along with the ice shape. Furthermore, the model is validated by comparing the local collection efficiency distribution and ice shape with experimental data, and the results show that the implemented approach provides acceptable predictions of ice accretion profiles and rates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

The Pacific Northwest Heat Wave of 25–30 June 2021: Synoptic/Mesoscale Conditions and Climate Perspective

Abstract An unprecedented heat wave occurred over the Pacific Northwest and southwest Canada on 25–30 June 2021, resulting in all-time temperature records that greatly exceeded previous record maximum temperatures. The impacts were substantial, including several hundred deaths, thousands of hospitalizations, a major wildfire in Lytton, British Columbia, Canada, and severe damage to regional vegetation. Several factors came together to produce this extreme event: a record-breaking midtropospheric ridge over British Columbia in the optimal location, record-breaking midtropospheric temperatures, strong subsidence in the lower atmosphere, low-level easterly flow that produced downslope warming on regional terrain and the removal of cooler marine air, an approaching low-level trough that enhanced downslope flow, the occurrence at a time of maximum insolation, and drier-than-normal soil moisture. It is shown that all-time-record temperatures have not become more frequent and that annual high temperatures only increased at the rate of baseline global warming. Although anthropogenic warming may have contributed as much as 1°C to the event, there is little evidence of further amplification from increasing greenhouse gases. Weather forecasts were excellent for this event, with highly accurate predictions of the extreme temperatures. Significance Statement This paper describes the atmospheric evolution that produced an extreme heat wave over the Pacific Northwest during June 2021 and puts this event into historical perspective.

Meteorology & Atmospheric Sciences↗

DOE OSTI2020

Lagrangian and Eulerian drag models that are consistent between Euler-Lagrange and Euler-Euler (two-fluid) approaches for homogeneous systems

The undisturbed flow of a particle is of fundamental importance since it controls both the undisturbed flow force and the perturbation force (which includes quasisteady, added-mass, and history forces). Here we use the pairwise interaction extended point particle framework to evaluate the undisturbed flow of each particle through superposition of the perturbation flow induced by all its neighbors. This approach allows calculation of various statistics related to undisturbed fluid velocity under conditions of both stationary and nonstationary particles. In a random distribution of stationary particles, while the macroscale undisturbed flow is slowly varying, the microscale undisturbed flow that arises due to the perturbation flow of neighbors varies substantially from one particle to another and this in turn leads to large variation in the hydrodynamic force exerted on the particles. The effect of particle motion is generally to increase the particle-to-particle variation in the undisturbed fluid velocity of the particles. We observe that this increase is greater for the transverse component than for the streamwise component. As a result, with increasing random particle motion, the distribution of undisturbed fluid-velocity fluctuation becomes isotropic. Three different normalized forces are defined: $Φ^L$ is the Lagrangian normalized force on an individual particle suitable for application in a microscale-informed Euler-Lagrange simulation, $Φ^E$ is the Eulerian normalized average force suitable for application in an Euler-Euler simulation, and $Φ^{LE}$ is the Lagrangian normalized force on an individual particle suitable for application in the standard Euler-Lagrange simulation. In this work, we establish precise relations between these different definitions. The drag laws developed based on particle-resolved direct numerical simulation results and experiments are appropriate for application only as the Eulerian normalized average force. We introduce the force consistency relation and use it to obtain an expression for $Φ^L$, which when applied to each particle and averaged over all the particles equals $Φ^E$. The results are first obtained in the limit of stationary particles and then extended to the general case of nonstationary particles.

42 ENGINEERING↗

DOE OSTI2025

Tool Chain for Simulations of Bi-Filar Coil Winding for Fast Quench Protection

The advancement of high-field magnets utilizing high-temperature superconductors (HTS) brings about complex challenges, especially in quench detection and protection. Traditional methods often fall short due to the inherently slow quench propagation in HTS materials. One promising approach to overcome this involves using a bifilar winding configuration, where two conductors are placed side by side. Under normal operation, they function in series, but during a quench event, they switch to an anti-parallel mode. This shift reduces the differential inductance of the coil to near zero, enabling rapid current oscillations through a capacitor discharge. The resulting high-frequency current flow leads to swift, uniform heating, triggering a full-coil quench within microseconds. Moreover, the strong mutual coupling between the two windings significantly reduces electrical noise in voltage measurements. In this work, we explore the viability of this concept by designing, constructing, and testing a REBCO bifilar racetrack coil in liquid nitrogen. We also present a validated simulation model that closely mirrors the coil's dynamic behavior under these conditions, aligning well with experimental observations.

Jayathilaka, Rehan [Northern Illinois U.]↗

DOE OSTI2011

On the Shear Band Direction in Metallic Glasses

This paper shows that it is inappropriate to relate the angle between loading axis and shear-band (or fracture) plane in metallic glasses under uniaxial loading conditions to the coefficient of internal friction in the Mohr-Coulomb model. Shear bands in metallic glasses are a result of material instability (which can be predicted from constitutive parameters and loading conditions), but not a yield phenomenon. Specifically, the shear band directions depend on Poisson s ratio, the ratios of three deviatoric principal stresses to Mises stress, the coefficient of internal friction, and the dilatancy factor. The last parameter describes whether the plastic flow is associative or non-associative. Theoretical predictions based on the classic Rudnicki-Rice model agree well with a compilation of observations in uniaxial mechanical tests. Furthermore, we identify three (two) regimes under the two-dimensional cylindrical (three-dimensional spherical) contact where different shear-band directions may occur. When using bonded interface technique to visualize the shear bands under the contact, it should be noted that the stress component normal to the bonded interface is released, resulting into the commonly observed semi-circular shear bands whose directions are predicted to follow the larger in-plane principal stress.

Gao, Yanfei↗

DOE OSTI2023

Development, calibration, and validation of a novel gray-box energy model for residential split air conditioners

Energy models for vapor compression refrigeration in residential air conditioners have been developed through white-box, gray-box, and black-box methods in decades. However, existing white-box and gray-box models require complicated equations with detailed geometries while black-box models require substantial experimental data. Further, this paper aims to develop and validate a simple gray-box steady-state energy model without the need for detailed geometries, which can accurately predict the cooling capacity and electrical power input based on outdoor and indoor air conditions, and supply airflow rates. First three state variables, including the evaporation and condensation temperatures, and refrigerant mass flowrate, are applied to develop the energy model and are solved by three physical equations, including the energy conservations at the evaporator and condenser, and the refrigerant volume-mass flow correlation of the compressor. Secondly, seven performance property functions related to three state variables and three physical equations are identified and calibrated by simple temperature and power measurements. Finally, field experiments are conducted on a residential air conditioner to calibrate these performance property functions and validate the developed model. The validated results reveal the model can accurately predict the cooling capacity and electrical power input, with the normalized root mean square errors of 2.3% and 0.87% respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗